SCHEMBL12549643

SCHEMBL12549643

O=C(NC1CCCC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.59
▸ THRB P10828 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13574150 0.91 KDM4E (0.49) TP53THRBKDM4EALDH1A1HPGD
SCHEMBL16010683 0.82 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL14960024 0.75 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL15462269 0.75 TNKS (0.61) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12549588 0.73 ALDH1A1 (0.61) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL13091023 0.72 MAPT (0.64) TP53ALDH1A1HPGDPOLBNPC1
SCHEMBL24031073 0.68 HDAC6 (1.00) TP53THRBHDAC1HDAC11HDAC8
SCHEMBL20989088 0.67 ALDH1A1 (0.65) TP53ALDH1A1HDAC1HDAC11HDAC8
SCHEMBL24031096 0.67 HDAC1 (0.76) TP53THRBHDAC1HDAC11HDAC8
SCHEMBL6522779 0.67 TP53 (0.89) TP53THRBALDH1A1HDAC1HDAC11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150374696-A1 WNT PROTEIN SIGNALLING INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-12-31 — — US disclosed
US-20150374696-A1 WNT PROTEIN SIGNALLING INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-12-31 — — US disclosed
US-9045416-B2 WNT protein signalling inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-06-02 — — US disclosed
US-9045416-B2 WNT protein signalling inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-06-02 — — US disclosed
US-20140038922-A1 WNT PROTEIN SIGNALLING INHIBITORS UNIV TEXAS (US) 2014-02-06 — — US disclosed
US-20140038922-A1 WNT PROTEIN SIGNALLING INHIBITORS UNIV TEXAS (US) 2014-02-06 — — US disclosed
US-8445491-B2 Wnt protein signalling inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-21 — — US disclosed
US-8445491-B2 Wnt protein signalling inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-21 — — US disclosed
US-20110136813-A1 WNT PROTEIN SIGNALLING INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2011-06-09 — — US disclosed
US-20110136813-A1 WNT PROTEIN SIGNALLING INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2011-06-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140038922-A1 WNT PROTEIN SIGNALLING INHIBITORS WNT1, WNT3A, DKK1 TP53 548/4885THRB 2008/4885KDM4E 4000/4885
US-20110136813-A1 WNT PROTEIN SIGNALLING INHIBITORS WNT1, WNT3A, DKK1 TP53 548/4885THRB 2008/4885KDM4E 4000/4885
US-20150374696-A1 WNT PROTEIN SIGNALLING INHIBITORS WNT1, WNT3A, DKK1 TP53 548/4885THRB 2008/4885KDM4E 4000/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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